SCHEMBL9401645

SCHEMBL9401645

COC(=O)C(=Cc1ccc(C)cc1)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 2/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 5/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9401639 1.00 KDM4E (0.52) KDM4EALDH1A1TDP1GLAPOLB
SCHEMBL10353052 1.00 KDM4E (0.52) KDM4EALDH1A1TDP1GLAPOLB
SCHEMBL8138421 0.91 MAPT (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL26080815 0.86 MAPT (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6508831 0.86 ALDH1A1 (0.72) KDM4EALDH1A1TDP1GLAPOLB
SCHEMBL6508829 0.86 ALDH1A1 (0.72) KDM4EALDH1A1TDP1GLAPOLB
SCHEMBL10350417 0.85 ALDH1A1 (0.69) KDM4EALDH1A1TDP1GLAPOLB
SCHEMBL10353050 0.84 MAPT (0.57) KDM4EALDH1A1TDP1GLAPOLB
SCHEMBL8036277 0.84 ALDH1A1 (0.50) KDM4EALDH1A1TDP1GLAPOLB
SCHEMBL9401431 0.84 CA1 (0.54) KDM4EALDH1A1TDP1GLAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814490-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-10-18 EP disclosed
EP-2731436-B1 2-(PYRROLO[2,3-B]PYRIDINE-5-YL)-2-(T-BUTOXY)-ACETIC ACID DERIVATIVES AS HIV REPLICATION INHIBITORS FOR THE TREATMENT OF AIDS VIIV HEALTHCARE UK LTD (GB) 2017-03-08 EP disclosed
EP-2814490-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2014-12-24 EP disclosed
EP-2731436-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2014-05-21 EP disclosed
US-8629276-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
US-8629276-B2 Inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
US-8609653-B2 Azaindole compounds and methods for treating HIV GLAXOSMITHKLINE LLC (US) 2013-12-17 US disclosed
WO-2013123148-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-22 WO disclosed
US-20130210857-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-15 US disclosed
US-20130210857-A1 Inhibitors of Human Immunodeficiency Virus Replication BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-15 US disclosed
WO-2013012649-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-01-24 WO disclosed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 US disclosed
US-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
EP-0380589-B1 PROCESSES FOR PREPARING ALKYLENE AND DIALKYL KETALS AND ALKYL ALPHA-ENOL ETHERS OF ALPHA-ACETYL CINNAMIC ACIDS OR ESTERS THEREOF EASTMAN KODAK CO (US) 1993-12-29 EP disclosed
EP-0403957-A2 Optical active 1,4-dihydropyridine derivates FUJIREBIO INC. (JP) 1990-12-27 EP disclosed
EP-0380585-A1 PROCESS FOR PREPARING 2-NAPHTHANOIC ACIDS AND ESTERS THEREOF EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1990-08-08 EP disclosed
WO-1989003377-A1 PROCESS FOR PREPARING 2-NAPHTHANOIC ACIDS AND ESTERS THEREOF EASTMAN KODAK COMPANY (US) 1989-04-20 WO disclosed
US-4786748-A Processes for preparing aklylene and dialkyl ketals and alkyl alpha-enol ethers of alpha-acetyl cinnamic acids or esters thereof EASTMAN KODAK COMPANY (US) 1988-11-22 US disclosed
US-4761497-A Process for preparing 2-naphthanoic acids and esters thereof EASTMAN KODAK COMPANY (US) 1988-08-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV AZI2, TPMT, INMT KDM4E 199/4885ALDH1A1 1779/4885TDP1 1103/4885
US-20130210857-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS KDM4E 2143/4885ALDH1A1 3327/4885TDP1 194/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.